On the interpolation of the frequencies of vibrational modes in variational transition state calculations: an adiabatic or diabatic scheme?

Author: Villa Jordi   Gonzalez-Lafont Angels   Lluch Jose M.   Bertran Juan  

Publisher: Taylor & Francis Ltd

ISSN: 1362-3028

Source: Molecular Physics, Vol.89, Iss.2, 1996-10, pp. : 633-644

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Abstract